AG003RX1

35998-96-0 | Methyl 5-amino-2-nitrobenzoate

AG003RX1

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CAS Number	35998-96-0
Catalog Number	AG003RX1(AGN-PC-009ACM)
Chemical Name	Methyl 5-amino-2-nitrobenzoate
IUPAC Name	methyl 5-amino-2-nitrobenzoate
InChI	InChI=1S/C8H8N2O4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,9H2,1H3
InChI Key	HBQRFDGMJZUGQV-UHFFFAOYSA-N
MDL Number	MFCD12913482
Molecular Formula	C8H8N2O4
Molecular Weight	196.1601
SMILES	O=C(OC)C1=CC(N)=CC=C1[N+]([O-])=O
Synonyms	Methyl 5-amino-2-nitrobenzoate, 35998-96-0, 5-AMINO-2-NITRO-BENZOIC ACID METHYL ESTER, METHYL 5-AMINO-2-NITRO BENZOATE, AK-77401, Benzoic acid, 5-amino-2-nitro-, methyl ester, SCHEMBL267231, KS-00000BSA, DTXSID30466115, HBQRFDGMJZUGQV-UHFFFAOYSA-N, 4298AJ, CM0123, MFCD12913482, TD1276, ZINC91366346, METHYL5-AMINO-2-NITROBENZOATE, AKOS022172786, CS-W003840, FCH1136523, QC-9685, TRA0035937, ACM35998960, 2-Nitro-5-aminobenzoic acid methyl ester, AC-29415, CJ-22645, DA-06449, DS-17159, SY025067, AB0050897, AJ-131614, AX8224120, 4CH-002061, FT-0687149, ST24047968, TL80090345, Z-3574, MFCD12913482 (97+%), 5-Amino-2-nitro-benzoic acid methyl ester, AldrichCPR, C8H8N2O4, Methyl 5-amino-2-nitro-benzoate, CID11446896,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.048g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.162g/mol
Monoisotopic Mass	196.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	98.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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